2-[[5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid;hydrochloride

C18H16ClN5O4 — CID 162335180

IUPAC2-[[5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid;hydrochloride
SMILESCl.O=C(O)COc1ccc2c3n(/c(=N/C(=O)c4cccnc4)nc2c1)CCN3
InChIInChI=1S/C18H15N5O4.ClH/c24-15(25)10-27-12-3-4-13-14(8-12)21-18(23-7-6-20-16(13)23)22-17(26)11-2-1-5-19-9-11;/h1-5,8-9,20H,6-7,10H2,(H,24,25);1H/b22-18+;
InChIKeyAFQAOSKWAFQCPX-MLWJBJAVSA-N
MW401.81 g/mol
LogP1.48
Rot. Bonds4

About 2-[[5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid;hydrochloride

2-[[5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid;hydrochloride (PubChem CID 162335180) has the molecular formula C18H16ClN5O4 and a molecular weight of 401.81 g/mol. Its IUPAC name is 2-[[5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[[5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid;hydrochloride
PubChem CID162335180
Molecular FormulaC18H16ClN5O4
Molecular Weight401.81 g/mol
Exact Mass401.09
IUPAC Name2-[[5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid;hydrochloride
SMILESCl.O=C(O)COc1ccc2c3n(/c(=N/C(=O)c4cccnc4)nc2c1)CCN3
InChIInChI=1S/C18H15N5O4.ClH/c24-15(25)10-27-12-3-4-13-14(8-12)21-18(23-7-6-20-16(13)23)22-17(26)11-2-1-5-19-9-11;/h1-5,8-9,20H,6-7,10H2,(H,24,25);1H/b22-18+;
InChIKeyAFQAOSKWAFQCPX-MLWJBJAVSA-N
XLogP1.48
TPSA118.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.81
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid;hydrochloride?
The IUPAC name of 2-[[5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid;hydrochloride (CID 162335180) is 2-[[5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid;hydrochloride.
What is the SMILES notation for 2-[[5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid;hydrochloride?
The canonical SMILES for 2-[[5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid;hydrochloride is Cl.O=C(O)COc1ccc2c3n(/c(=N/C(=O)c4cccnc4)nc2c1)CCN3.
What is the InChIKey of 2-[[5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid;hydrochloride?
The InChIKey is AFQAOSKWAFQCPX-MLWJBJAVSA-N. The full InChI is InChI=1S/C18H15N5O4.ClH/c24-15(25)10-27-12-3-4-13-14(8-12)21-18(23-7-6-20-16(13)23)22-17(26)11-2-1-5-19-9-11;/h1-5,8-9,20H,6-7,10H2,(H,24,25);1H/b22-18+;.
What are the key properties of 2-[[5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid;hydrochloride?
2-[[5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid;hydrochloride has a molecular weight of 401.81 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid;hydrochloride is sourced from PubChem (CID 162335180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).