6-N-(3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine

C26H24ClN7O2 — CID 59988534

IUPAC6-N-(3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine
SMILESClc1cc(Nc2ncnc3ccc(NC4=NC5CCNCC5O4)cc23)ccc1OCc1ccccn1
InChIInChI=1S/C26H24ClN7O2/c27-20-12-17(5-7-23(20)35-14-18-3-1-2-9-29-18)32-25-19-11-16(4-6-21(19)30-15-31-25)33-26-34-22-8-10-28-13-24(22)36-26/h1-7,9,11-12,15,22,24,28H,8,10,13-14H2,(H,33,34)(H,30,31,32)
InChIKeyHRMQFOVYJHZCLE-UHFFFAOYSA-N
MW501.98 g/mol
LogP4.53
Rot. Bonds6

About 6-N-(3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine

6-N-(3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine (PubChem CID 59988534) has the molecular formula C26H24ClN7O2 and a molecular weight of 501.98 g/mol. Its IUPAC name is 6-N-(3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name6-N-(3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine
PubChem CID59988534
Molecular FormulaC26H24ClN7O2
Molecular Weight501.98 g/mol
Exact Mass501.17
IUPAC Name6-N-(3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine
SMILESClc1cc(Nc2ncnc3ccc(NC4=NC5CCNCC5O4)cc23)ccc1OCc1ccccn1
InChIInChI=1S/C26H24ClN7O2/c27-20-12-17(5-7-23(20)35-14-18-3-1-2-9-29-18)32-25-19-11-16(4-6-21(19)30-15-31-25)33-26-34-22-8-10-28-13-24(22)36-26/h1-7,9,11-12,15,22,24,28H,8,10,13-14H2,(H,33,34)(H,30,31,32)
InChIKeyHRMQFOVYJHZCLE-UHFFFAOYSA-N
XLogP4.53
TPSA105.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.98
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-N-(3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-3-carboxamide
CID 11554402
(2S)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-2-carboxamide
CID 11518265
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(3R)-pyrrolidin-3-yl]methoxy]quinazolin-4-amine
CID 69028466
(1R)-1-[(5S)-2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol
CID 59835194
(1R)-1-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol
CID 67433876
(2S)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-1-methylpyrrolidine-2-carboxamide
CID 11496823
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[(3R)-piperidin-3-yl]oxyquinazolin-4-amine
CID 69024890
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-7-fluoroquinazolin-4-amine
CID 141145307
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 67334878
(2S)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 44542371
(2S,4R)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-4-methoxy-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 67332457
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(1,8-dioxa-3-azaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine
CID 159117779

Frequently Asked Questions

What is the IUPAC name of 6-N-(3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine?
The IUPAC name of 6-N-(3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine (CID 59988534) is 6-N-(3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine.
What is the SMILES notation for 6-N-(3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine?
The canonical SMILES for 6-N-(3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine is Clc1cc(Nc2ncnc3ccc(NC4=NC5CCNCC5O4)cc23)ccc1OCc1ccccn1.
What is the InChIKey of 6-N-(3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine?
The InChIKey is HRMQFOVYJHZCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN7O2/c27-20-12-17(5-7-23(20)35-14-18-3-1-2-9-29-18)32-25-19-11-16(4-6-21(19)30-15-31-25)33-26-34-22-8-10-28-13-24(22)36-26/h1-7,9,11-12,15,22,24,28H,8,10,13-14H2,(H,33,34)(H,30,31,32).
What are the key properties of 6-N-(3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine?
6-N-(3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine has a molecular weight of 501.98 g/mol, XLogP of 4.53, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine is sourced from PubChem (CID 59988534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).