6-cyclopropyl-N-(4-morpholin-4-ylphenyl)-7-[(3R)-pyrrolidin-3-yl]oxyquinazolin-2-amine

C25H29N5O2 — CID 70889660

IUPAC6-cyclopropyl-N-(4-morpholin-4-ylphenyl)-7-[(3R)-pyrrolidin-3-yl]oxyquinazolin-2-amine
SMILESc1cc(N2CCOCC2)ccc1Nc1ncc2cc(C3CC3)c(O[C@@H]3CCNC3)cc2n1
InChIInChI=1S/C25H29N5O2/c1-2-17(1)22-13-18-15-27-25(29-23(18)14-24(22)32-21-7-8-26-16-21)28-19-3-5-20(6-4-19)30-9-11-31-12-10-30/h3-6,13-15,17,21,26H,1-2,7-12,16H2,(H,27,28,29)/t21-/m1/s1
InChIKeyMQMKHSWAAORYLZ-OAQYLSRUSA-N
MW431.54 g/mol
LogP3.83
Rot. Bonds6

About 6-cyclopropyl-N-(4-morpholin-4-ylphenyl)-7-[(3R)-pyrrolidin-3-yl]oxyquinazolin-2-amine

6-cyclopropyl-N-(4-morpholin-4-ylphenyl)-7-[(3R)-pyrrolidin-3-yl]oxyquinazolin-2-amine (PubChem CID 70889660) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 6-cyclopropyl-N-(4-morpholin-4-ylphenyl)-7-[(3R)-pyrrolidin-3-yl]oxyquinazolin-2-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-(4-morpholin-4-ylphenyl)-7-[(3R)-pyrrolidin-3-yl]oxyquinazolin-2-amine
PubChem CID70889660
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name6-cyclopropyl-N-(4-morpholin-4-ylphenyl)-7-[(3R)-pyrrolidin-3-yl]oxyquinazolin-2-amine
SMILESc1cc(N2CCOCC2)ccc1Nc1ncc2cc(C3CC3)c(O[C@@H]3CCNC3)cc2n1
InChIInChI=1S/C25H29N5O2/c1-2-17(1)22-13-18-15-27-25(29-23(18)14-24(22)32-21-7-8-26-16-21)28-19-3-5-20(6-4-19)30-9-11-31-12-10-30/h3-6,13-15,17,21,26H,1-2,7-12,16H2,(H,27,28,29)/t21-/m1/s1
InChIKeyMQMKHSWAAORYLZ-OAQYLSRUSA-N
XLogP3.83
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 6-cyclopropyl-N-(4-morpholin-4-ylphenyl)-7-[(3R)-pyrrolidin-3-yl]oxyquinazolin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-[4-(4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]-2-[(3R)-pyrrolidin-3-yl]oxybenzonitrile
CID 118980062
[4-[(6-ethynyl-7-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 88954305
6-ethynyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine
CID 25018564
3-[[6-[(Z)-1-methyliminobut-2-en-2-yl]-7-piperidin-4-yloxyquinazolin-2-yl]amino]-5-morpholin-4-ylbenzamide
CID 70920922
2-N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline-2,6-diamine
CID 89102571
N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101585
methane;N-(3-piperazin-1-ylphenyl)-7-piperidin-4-yloxyquinazolin-2-amine
CID 157148191
N-[3-(oxan-4-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 44554608
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine
CID 58786809
1-cyclopentyl-6-(4-morpholin-4-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-one
CID 59686676
4-[(3,3-difluoropiperidin-4-yl)methoxy]-5-fluoro-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 165385913
4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 11710471

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(4-morpholin-4-ylphenyl)-7-[(3R)-pyrrolidin-3-yl]oxyquinazolin-2-amine?
The IUPAC name of 6-cyclopropyl-N-(4-morpholin-4-ylphenyl)-7-[(3R)-pyrrolidin-3-yl]oxyquinazolin-2-amine (CID 70889660) is 6-cyclopropyl-N-(4-morpholin-4-ylphenyl)-7-[(3R)-pyrrolidin-3-yl]oxyquinazolin-2-amine.
What is the SMILES notation for 6-cyclopropyl-N-(4-morpholin-4-ylphenyl)-7-[(3R)-pyrrolidin-3-yl]oxyquinazolin-2-amine?
The canonical SMILES for 6-cyclopropyl-N-(4-morpholin-4-ylphenyl)-7-[(3R)-pyrrolidin-3-yl]oxyquinazolin-2-amine is c1cc(N2CCOCC2)ccc1Nc1ncc2cc(C3CC3)c(O[C@@H]3CCNC3)cc2n1.
What is the InChIKey of 6-cyclopropyl-N-(4-morpholin-4-ylphenyl)-7-[(3R)-pyrrolidin-3-yl]oxyquinazolin-2-amine?
The InChIKey is MQMKHSWAAORYLZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-2-17(1)22-13-18-15-27-25(29-23(18)14-24(22)32-21-7-8-26-16-21)28-19-3-5-20(6-4-19)30-9-11-31-12-10-30/h3-6,13-15,17,21,26H,1-2,7-12,16H2,(H,27,28,29)/t21-/m1/s1.
What are the key properties of 6-cyclopropyl-N-(4-morpholin-4-ylphenyl)-7-[(3R)-pyrrolidin-3-yl]oxyquinazolin-2-amine?
6-cyclopropyl-N-(4-morpholin-4-ylphenyl)-7-[(3R)-pyrrolidin-3-yl]oxyquinazolin-2-amine has a molecular weight of 431.54 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(4-morpholin-4-ylphenyl)-7-[(3R)-pyrrolidin-3-yl]oxyquinazolin-2-amine is sourced from PubChem (CID 70889660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).