N-[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine

C18H17ClN4O4 — CID 68544982

IUPACN-[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine
SMILESCOc1cc2c(Nc3ccnc4c3OCO4)ncnc2cc1OCCCCl
InChIInChI=1S/C18H17ClN4O4/c1-24-14-7-11-13(8-15(14)25-6-2-4-19)21-9-22-17(11)23-12-3-5-20-18-16(12)26-10-27-18/h3,5,7-9H,2,4,6,10H2,1H3,(H,20,21,22,23)
InChIKeyNEROTQYRBSRTPB-UHFFFAOYSA-N
MW388.81 g/mol
LogP3.51
Rot. Bonds7

About N-[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine

N-[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine (PubChem CID 68544982) has the molecular formula C18H17ClN4O4 and a molecular weight of 388.81 g/mol. Its IUPAC name is N-[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine
PubChem CID68544982
Molecular FormulaC18H17ClN4O4
Molecular Weight388.81 g/mol
Exact Mass388.09
IUPAC NameN-[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine
SMILESCOc1cc2c(Nc3ccnc4c3OCO4)ncnc2cc1OCCCCl
InChIInChI=1S/C18H17ClN4O4/c1-24-14-7-11-13(8-15(14)25-6-2-4-19)21-9-22-17(11)23-12-3-5-20-18-16(12)26-10-27-18/h3,5,7-9H,2,4,6,10H2,1H3,(H,20,21,22,23)
InChIKeyNEROTQYRBSRTPB-UHFFFAOYSA-N
XLogP3.51
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine with MolForge

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Related Compounds

N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 10296738
N-(4-chloro-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10982156
N-(4-bromo-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10906322
4-[2-[4-(1,3-benzodioxol-4-ylamino)-6-methoxyquinazolin-7-yl]oxyethyl]-1-methylpiperidin-4-ol
CID 69355450
1-[4-[[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]amino]phenyl]ethanone;ethane
CID 142929534
6-methoxy-7-(2-methoxyethoxy)-N-(2,3,5-trimethoxyphenyl)quinazolin-4-amine
CID 11517241
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330171
1-[4-[3-[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperazin-1-yl]-2-methylpropan-1-one
CID 11489610
4-chloro-7-(3-chloropropoxy)-6-methoxyquinazoline
CID 57447227
2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol
CID 118112159
N-(5-chloro-2-fluorophenyl)-7-methoxy-6-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propoxy]quinazolin-4-amine
CID 71616847
N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330191

Frequently Asked Questions

What is the IUPAC name of N-[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine?
The IUPAC name of N-[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine (CID 68544982) is N-[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for N-[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine?
The canonical SMILES for N-[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine is COc1cc2c(Nc3ccnc4c3OCO4)ncnc2cc1OCCCCl.
What is the InChIKey of N-[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine?
The InChIKey is NEROTQYRBSRTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O4/c1-24-14-7-11-13(8-15(14)25-6-2-4-19)21-9-22-17(11)23-12-3-5-20-18-16(12)26-10-27-18/h3,5,7-9H,2,4,6,10H2,1H3,(H,20,21,22,23).
What are the key properties of N-[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine?
N-[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine has a molecular weight of 388.81 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 68544982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).