N-(3-chloro-6-methoxypyrazin-2-yl)-5-propan-2-yloxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

C23H29ClN6O3 — CID 11477003

IUPACN-(3-chloro-6-methoxypyrazin-2-yl)-5-propan-2-yloxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
SMILESCOc1cnc(Cl)c(Nc2ncnc3cc(OCCCN4CCCC4)cc(OC(C)C)c23)n1
InChIInChI=1S/C23H29ClN6O3/c1-15(2)33-18-12-16(32-10-6-9-30-7-4-5-8-30)11-17-20(18)22(27-14-26-17)29-23-21(24)25-13-19(28-23)31-3/h11-15H,4-10H2,1-3H3,(H,26,27,28,29)
InChIKeyVLDQTIBKFADKEB-UHFFFAOYSA-N
MW472.98 g/mol
LogP4.48
Rot. Bonds10

About N-(3-chloro-6-methoxypyrazin-2-yl)-5-propan-2-yloxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

N-(3-chloro-6-methoxypyrazin-2-yl)-5-propan-2-yloxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine (PubChem CID 11477003) has the molecular formula C23H29ClN6O3 and a molecular weight of 472.98 g/mol. Its IUPAC name is N-(3-chloro-6-methoxypyrazin-2-yl)-5-propan-2-yloxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-6-methoxypyrazin-2-yl)-5-propan-2-yloxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
PubChem CID11477003
Molecular FormulaC23H29ClN6O3
Molecular Weight472.98 g/mol
Exact Mass472.20
IUPAC NameN-(3-chloro-6-methoxypyrazin-2-yl)-5-propan-2-yloxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
SMILESCOc1cnc(Cl)c(Nc2ncnc3cc(OCCCN4CCCC4)cc(OC(C)C)c23)n1
InChIInChI=1S/C23H29ClN6O3/c1-15(2)33-18-12-16(32-10-6-9-30-7-4-5-8-30)11-17-20(18)22(27-14-26-17)29-23-21(24)25-13-19(28-23)31-3/h11-15H,4-10H2,1-3H3,(H,26,27,28,29)
InChIKeyVLDQTIBKFADKEB-UHFFFAOYSA-N
XLogP4.48
TPSA94.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.98
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxypyrimidin-4-yl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine
CID 11317087
N-(5-chloro-2-methoxy-4-pyridinyl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine
CID 91433483
N-(5-chloro-2-methoxypyrimidin-4-yl)-7-(3-morpholin-4-ylpropoxy)-5-propan-2-yloxyquinazolin-4-amine
CID 11488696
6-chloro-N-[7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine
CID 10368714
4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-propan-2-yloxyquinazolin-7-ol
CID 135503699
N-(2-chloro-5-methoxyphenyl)-7-methoxy-5-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 11973907
4-chloro-5-(oxan-4-yloxy)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 22140750
N-(2,4-dichloro-5-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
CID 10144363
2-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline
CID 69089727
4-chloro-5-(2-methoxyethoxy)-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazoline
CID 118096744
N-[(2S)-4-chloro-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-2-yl]-7-(3-chloropropoxy)-5-propan-2-yloxyquinazolin-4-amine
CID 91078844
N-(3-chloro-4-fluorophenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5-(oxolan-3-yloxy)quinazolin-4-amine
CID 10186116

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-6-methoxypyrazin-2-yl)-5-propan-2-yloxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?
The IUPAC name of N-(3-chloro-6-methoxypyrazin-2-yl)-5-propan-2-yloxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine (CID 11477003) is N-(3-chloro-6-methoxypyrazin-2-yl)-5-propan-2-yloxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-6-methoxypyrazin-2-yl)-5-propan-2-yloxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?
The canonical SMILES for N-(3-chloro-6-methoxypyrazin-2-yl)-5-propan-2-yloxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine is COc1cnc(Cl)c(Nc2ncnc3cc(OCCCN4CCCC4)cc(OC(C)C)c23)n1.
What is the InChIKey of N-(3-chloro-6-methoxypyrazin-2-yl)-5-propan-2-yloxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?
The InChIKey is VLDQTIBKFADKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN6O3/c1-15(2)33-18-12-16(32-10-6-9-30-7-4-5-8-30)11-17-20(18)22(27-14-26-17)29-23-21(24)25-13-19(28-23)31-3/h11-15H,4-10H2,1-3H3,(H,26,27,28,29).
What are the key properties of N-(3-chloro-6-methoxypyrazin-2-yl)-5-propan-2-yloxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?
N-(3-chloro-6-methoxypyrazin-2-yl)-5-propan-2-yloxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine has a molecular weight of 472.98 g/mol, XLogP of 4.48, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-6-methoxypyrazin-2-yl)-5-propan-2-yloxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 11477003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).