N-(5-chloro-2-methoxypyrimidin-4-yl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine

C22H27ClN6O3 — CID 11317087

IUPACN-(5-chloro-2-methoxypyrimidin-4-yl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine
SMILESCOc1ncc(Cl)c(Nc2ncnc3cc(OCCN4CCCC4)cc(OC(C)C)c23)n1
InChIInChI=1S/C22H27ClN6O3/c1-14(2)32-18-11-15(31-9-8-29-6-4-5-7-29)10-17-19(18)21(26-13-25-17)27-20-16(23)12-24-22(28-20)30-3/h10-14H,4-9H2,1-3H3,(H,24,25,26,27,28)
InChIKeyGIPHCCRGIGULJD-UHFFFAOYSA-N
MW458.95 g/mol
LogP4.09
Rot. Bonds9

About N-(5-chloro-2-methoxypyrimidin-4-yl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine

N-(5-chloro-2-methoxypyrimidin-4-yl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine (PubChem CID 11317087) has the molecular formula C22H27ClN6O3 and a molecular weight of 458.95 g/mol. Its IUPAC name is N-(5-chloro-2-methoxypyrimidin-4-yl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxypyrimidin-4-yl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine
PubChem CID11317087
Molecular FormulaC22H27ClN6O3
Molecular Weight458.95 g/mol
Exact Mass458.18
IUPAC NameN-(5-chloro-2-methoxypyrimidin-4-yl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine
SMILESCOc1ncc(Cl)c(Nc2ncnc3cc(OCCN4CCCC4)cc(OC(C)C)c23)n1
InChIInChI=1S/C22H27ClN6O3/c1-14(2)32-18-11-15(31-9-8-29-6-4-5-7-29)10-17-19(18)21(26-13-25-17)27-20-16(23)12-24-22(28-20)30-3/h10-14H,4-9H2,1-3H3,(H,24,25,26,27,28)
InChIKeyGIPHCCRGIGULJD-UHFFFAOYSA-N
XLogP4.09
TPSA94.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(5-chloro-2-methoxypyrimidin-4-yl)-7-(3-morpholin-4-ylpropoxy)-5-propan-2-yloxyquinazolin-4-amine
CID 11488696
N-(5-chloro-2-methoxy-4-pyridinyl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine
CID 91433483
N-(3-chloro-6-methoxypyrazin-2-yl)-5-propan-2-yloxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 11477003
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
N-(2,4-dichloro-5-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
CID 10144363
2-[[5-chloro-2-[2-methoxy-5-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]-N-pentan-3-ylbenzenesulfonamide
CID 58235519
N-(2-chloro-5-methoxyphenyl)-7-methoxy-5-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 11973907
4-chloro-5-(2-methoxyethoxy)-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazoline
CID 118096744
4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-propan-2-yloxyquinazolin-7-ol
CID 135503699
2-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline
CID 69089727
N-(1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine
CID 11974021
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

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxypyrimidin-4-yl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine?
The IUPAC name of N-(5-chloro-2-methoxypyrimidin-4-yl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine (CID 11317087) is N-(5-chloro-2-methoxypyrimidin-4-yl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine.
What is the SMILES notation for N-(5-chloro-2-methoxypyrimidin-4-yl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine?
The canonical SMILES for N-(5-chloro-2-methoxypyrimidin-4-yl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine is COc1ncc(Cl)c(Nc2ncnc3cc(OCCN4CCCC4)cc(OC(C)C)c23)n1.
What is the InChIKey of N-(5-chloro-2-methoxypyrimidin-4-yl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine?
The InChIKey is GIPHCCRGIGULJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN6O3/c1-14(2)32-18-11-15(31-9-8-29-6-4-5-7-29)10-17-19(18)21(26-13-25-17)27-20-16(23)12-24-22(28-20)30-3/h10-14H,4-9H2,1-3H3,(H,24,25,26,27,28).
What are the key properties of N-(5-chloro-2-methoxypyrimidin-4-yl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine?
N-(5-chloro-2-methoxypyrimidin-4-yl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine has a molecular weight of 458.95 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxypyrimidin-4-yl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine is sourced from PubChem (CID 11317087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).